6WSU

Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J19 immobile Holliday junction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	68.513, 68.513, 60.773
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.257 - 2.756
R-factor	0.212
Rwork	0.211
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
RMSD bond length	0.009
RMSD bond angle	0.992
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge	0.112	0.101	1.675
Rmeas	0.118	0.108	1.758
Rpim	0.036	0.034	0.526
Number of reflections	4478	247	205
<I/σ(I)>	11.5
Completeness [%]	99.6	95.4	98.6
Redundancy	11.3	10.3	9.3
CC(1/2)	0.957	0.992	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M Cacodylate pH 7.0 with 20 mM MgCl2, 1.0 mM spermine, 1.0 mM CoH18N6, and 15% Ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock